SCHEMBL27893081

SCHEMBL27893081

N=C(N)NC(=N)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.49
▸ PTPN1 P18031 3/20 0.47
▸ PTPN11 Q06124 1/20 0.47
▸ WDR5 P61964 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ MITF O75030 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MAPT P10636 5/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ DEGS1 O15121 1/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ CRHBP P24387 2/20 0.41
▸ CRHR2 Q13324 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Phenyl Biguanide SCHEMBL467623 0.88 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
Phenyl Biguanide SCHEMBL2721730 0.86 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
Phenyl Biguanide SCHEMBL28093786 0.86 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3068902 0.86 F2 (0.43) ALDH1A1RAB9ANPC1MAPTTP53
Phenyl Biguanide SCHEMBL1989457 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL27846380 0.84 WDR5 (0.54) TAAR1PTPN1PTPN11WDR5ALDH1A1
SCHEMBL6157161 0.84 PTPN1 (0.57) TAAR1PTPN1PTPN11WDR5ALDH1A1
Phenyl Biguanide SCHEMBL9459112 0.83 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
Phenyl Biguanide SCHEMBL16702225 0.83 GAA (0.48) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
Phenyl Biguanide SCHEMBL1592736 0.81 MAPT (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1606618-B Novel alkali protease formed by bacillus gibsonii (DSM 14393) and washing and cleaning agents containing said novel alkali protease HENKEL KGAA 2013-03-13 — — CN disclosed
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